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138616-17-8 | Thiazole, 5-chloro-2-nitro-
CAS No: 138616-17-8 Catalog No: AG0018VH MDL No:
Product Description
Catalog Number:
AG0018VH
Chemical Name:
Thiazole, 5-chloro-2-nitro-
CAS Number:
138616-17-8
Molecular Formula:
C3HClN2O2S
Molecular Weight:
164.5702
IUPAC Name:
5-chloro-2-nitro-1,3-thiazole
InChI:
InChI=1S/C3HClN2O2S/c4-2-1-5-3(9-2)6(7)8/h1H
InChI Key:
HATZNMFCQURBJZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ncc(s1)Cl
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.945g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.563g/mol
Monoisotopic Mass:
163.945g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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